SCHEMBL6029378

SCHEMBL6029378

COc1ccc(-c2cnc(SCC(=O)NC(Cc3cccc(Cl)c3)C3CCCNC3)nc2)cc1OC

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
MAPT P10636 4/20 0.39
POLB P06746 1/20 0.39
ATM Q13315 1/20 0.39
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ROCK2 O75116 3/20 0.38
THRB P10828 1/20 0.37
CHEK1 O14757 1/20 0.37
TRPM5 Q9NZQ8 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
PKN2 Q16513 1/20 0.36
PDPK1 O15530 1/20 0.36
CDK9 P50750 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6029268 0.92 MAPT (0.43) LMNAMAPTPOLBATMRAB9A
SCHEMBL6028227 0.91 LMNA (0.41) LMNAMAPTPOLBATMRAB9A
SCHEMBL6029438 0.90 CHEK1 (0.39) LMNAMAPTPOLBATMRAB9A
SCHEMBL6030459 0.89 LMNA (0.41) LMNAMAPTPOLBATMRAB9A
SCHEMBL6028518 0.89 CHEK1 (0.39) LMNAMAPTPOLBATMRAB9A
SCHEMBL6028834 0.88 LMNA (0.42) LMNAMAPTPOLBATMRAB9A
SCHEMBL6029156 0.88 LMNA (0.41) LMNAMAPTPOLBATMRAB9A
SCHEMBL6029808 0.88 LMNA (0.41) LMNAMAPTPOLBATMRAB9A
SCHEMBL6028822 0.87 LMNA (0.40) LMNAMAPTPOLBATMRAB9A
SCHEMBL6028843 0.87 LMNA (0.38) LMNAMAPTPOLBATMRAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6984643-B2 2,5-substituted pyrimidine derivatives-CCR-3 receptor antagonists ROCHE PALO ALTO LLC (US) 2006-01-10 US claimed
EP-1521582-A1 2,5-SUBSTITUTED PYRIMIDINE DERIVATIVES AS CCR-3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-04-13 EP claimed
US-20040014775-A1 2,5-substituted pyrimidine derivatives-CCR-3 receptor antagonists ROCHE PALO ALTO LLC 2004-01-22 US claimed
WO-2004004731-A1 2, 5-SUBSTITUTED PYRIMIDINE DERIVATIVES AS CCR-3 RECEPTOR ANTAGONISTS IX F. HOFFMANN-LA ROCHE AG (CH) 2004-01-15 WO claimed
US-6984643-B2 2,5-substituted pyrimidine derivatives-CCR-3 receptor antagonists ROCHE PALO ALTO LLC (US) 2006-01-10 US disclosed
EP-1521582-A1 2,5-SUBSTITUTED PYRIMIDINE DERIVATIVES AS CCR-3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-04-13 EP disclosed
US-20040014775-A1 2,5-substituted pyrimidine derivatives-CCR-3 receptor antagonists ROCHE PALO ALTO LLC 2004-01-22 US disclosed
WO-2004004731-A1 2, 5-SUBSTITUTED PYRIMIDINE DERIVATIVES AS CCR-3 RECEPTOR ANTAGONISTS IX F. HOFFMANN-LA ROCHE AG (CH) 2004-01-15 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040014775-A1 2,5-substituted pyrimidine derivatives-CCR-3 receptor antagonists CCR3, CCR1, CCRL2 LMNA 3926/4885MAPT 4134/4885POLB 2585/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.